mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1219694
-5.174841
-4.951822
3.977348
other
Pu1Np1
2
65
41.86
mp-1208313
-3.792094
-2.596267
-3.157969
other
Tb1Se3
4
65
382.58
mp-27659
-7.870912
-3.394579
2.802354
other
Pu1Pt4
5
65
100.19
mp-1080641
-4.270185
-4.984441
-3.419384
other
Ce18Se36
54
65
4,868.55
mp-1221550
-6.622838
-0.81494
3.939907
other
Mn1V1
2
65
23.8
mp-1079131
-7.415743
-1.374687
3.707593
other
V4Ir4
8
65
109.8
mp-1063268
6.715753
10.997363
-1.775687
other
Co1O2
3
65
230.84
mp-1205645
-6.900752
-4.690307
3.519349
other
U3Sn7
10
65
252.55
mp-1227549
-7.24251
0.388377
4.204429
other
Be1Fe3
4
65
42.76
mp-1213433
-2.155974
-8.557349
1.455548
other
Cu1Pt3
4
65
587.89
mp-1215437
-8.549571
-6.426816
2.46859
other
Zn1Ag1
2
65
31.59
mp-1217398
-6.111139
-0.953942
3.840882
other
Tc1Mo1
2
65
30.7
mp-1217892
-5.768265
-2.58984
3.628729
other
Ta1Nb1
2
65
36.43
mp-1225656
-8.795247
-4.459584
2.573167
other
Cu1Pd1
2
65
27.92
mp-28511
-5.203628
-2.727644
2.918704
other
Zr36P18
54
65
1,031.92
mp-1206823
0.155053
2.26777
-3.153113
other
Pr1I6
7
65
9,098.74
mp-971751
-7.472288
-1.580482
3.666895
other
V2Rh2
4
65
53.75
mp-12701
-7.259199
-5.875756
4.012414
other
Nd2Sn4
6
65
167.96
mp-1179352
-5.886322
-5.728551
0.824573
other
Sn4Sb4
8
65
232.4
mp-1025069
-7.24523
-5.880673
3.918953
other
Pr2Sn4
6
65
170.96
mp-1216480
-6.378869
-1.150671
3.928649
other
V3Ga1
4
65
55.58
mp-1206433
2.1394
2.768824
-4.059819
other
Cd1Cl6
7
65
3,927.55
mp-1225698
-9.431553
-4.256295
3.352559
other
Cu3Ni1
4
65
44.72
mp-1078895
-8.469169
-3.732671
2.151042
other
Mn3Pd5
8
65
120.02
mp-560998
15.674578
5.644182
0.395905
other
Si18O36
54
65
1,014.5
mp-1218346
-4.981174
-7.39697
3.714376
other
Sr1Ca1
2
65
95.13
mp-1077096
0.602866
2.176311
1.984471
other
Re2N4
6
65
62.54
mp-1208315
-5.857458
-6.101544
0.972794
other
Tb1Bi3
4
65
536.66
mp-1226223
-6.641811
-0.641842
3.867958
other
Cr3Ru1
4
65
49.69
mp-1224314
-5.823785
-2.31196
4.056977
other
Hf1Mo1
2
65
36.75
mp-1224953
-9.598905
-3.857034
3.65123
other
Fe1Cu3
4
65
47.84
mp-1208309
-3.087174
-7.994642
1.011202
other
Tb1Sb3
4
65
484.19
mp-1077735
-7.23201
-5.915098
3.88592
other
La2Sn4
6
65
177.6
mp-1216634
-5.618315
-3.004427
3.69407
other
Ti1Nb1
2
65
35.35
mp-1219456
-5.431536
-3.691294
-1.774552
other
Sb1Te1
2
65
57.98
mp-1079090
-7.172155
-5.640189
3.634145
other
Er3Sn7
10
65
254.06
mp-1226162
-6.109545
-0.498527
3.607531
other
Cr1W1
2
65
28.26
mp-16514
-8.132158
-1.804084
2.610791
other
Al3Ni5
8
65
90.37
mp-1228813
-6.144616
-1.108332
3.957066
other
Al1V3
4
65
56.06
mp-1217887
-5.622602
-3.39188
3.822295
other
Ta1Ti1
2
65
35.15
mp-1216646
-6.034748
-1.871835
4.067751
other
Ti1V1
2
65
30.45
mp-1214978
-8.655839
-0.375458
5.172296
other
B4Ru4
8
65
97.15
mp-1210811
-4.555287
-7.553885
2.120062
other
Na9Hg1
10
65
5,081.06
mp-233
11.069357
9.398121
1.721942
other
U1O3
4
65
55.35
mp-1206190
0.03225
2.300034
-3.271476
other
Zn1I6
7
65
5,746.48
mp-1215462
-9.729617
-4.587105
3.717366
other
Zn1Cu1
2
65
26.14
mp-1225059
2.084038
2.850127
-4.559364
other
Fe2Cl8
10
65
246.92
mp-1216593
-5.307337
-3.701102
3.598341
other
U1Ti1
2
65
37.5
mp-1224965
-8.17872
-0.006969
3.375527
other
Fe1Ni1
2
65
22.49
mp-1228001
-6.132621
-1.317547
4.399371
other
Al1V1
2
65
28.05
mp-1226716
-7.937635
-6.776174
2.134556
other
Cd1Ag1
2
65
37.85
mp-1207038
-6.841104
-4.585372
3.489746
other
U2Sn4
6
65
153.12
mp-865166
-8.381624
-4.192381
2.20335
other
Hf1Pd5
6
65
93.39
mp-1067236
-8.104702
-3.030811
2.464629
other
Cd1Pt3
4
65
64.31
mp-1006878
7.646994
5.619642
-2.874592
other
Ba1O2
3
65
56.23
mp-669923
-6.364167
-4.099531
3.899167
other
U4Ga4
8
65
159.52
mp-1216231
-6.06759
-0.807018
3.551808
other
V1W1
2
65
29.29
mp-1215470
-5.524705
-7.360722
4.079075
other
Yb1Eu1
2
65
81.15
mp-1073299
-3.152415
-5.068005
6.70406
other
Mg1Si2
3
65
48.27
mp-1014281
4.647739
2.721355
-3.33768
other
C3N1
4
65
64.11
mp-1216621
-5.9459
-1.620896
3.836944
other
Ti1W1
2
65
32.11
mp-1220322
-5.891373
-1.479798
3.91128
original
Nb1Re1
2
65
32.65
mp-1062805
-5.339759
-5.837307
0.729817
other
Ba1Sb2
3
65
106.94
mp-1217908
-6.687209
-1.851434
4.358367
other
Ta1Ru1
2
65
32.24
mp-1208843
-7.155671
-5.81098
3.764483
other
Sm4Sn10
14
65
374.42
mp-11809
-6.091423
-2.69807
5.140691
other
Ti2Al4
6
65
94.19
mp-1182656
-7.183592
-5.792368
3.584597
other
La4Sn10
14
65
428.51
mp-1224945
-7.938414
-0.008064
3.87033
other
Fe1Cu1
2
65
23.66
mp-1227938
-4.737545
-7.311571
3.670205
other
Ba1Ca1
2
65
105.83
mp-1222304
-7.620337
-6.693858
6.742618
other
Lu3Mg1
4
65
113.8
mp-1225895
-4.103928
-6.808519
1.479198
other
Cs1Rb1
2
65
216.8
mp-1014298
6.109377
2.971521
-3.175876
other
C3N1
4
65
38.03
mp-1219491
-5.827838
-0.47429
3.550523
other
Re1W3
4
65
63.66
mp-1252764
9.128339
0.934817
1.091034
other
Al2F6
8
65
98.77
mp-1226200
-6.231338
-0.637804
3.580419
other
Cr1Mo1
2
65
27.96
mp-1207367
2.140151
2.833011
-4.090844
other
Fe1Cl6
7
65
2,508.05
mp-1220496
0.540559
1.352846
2.875569
other
Nb8N5
13
65
168.82
mp-1215193
-5.322113
-4.076491
3.604732
other
Zr1U1
2
65
43.62
mp-1224307
-5.683154
-3.300771
3.907928
other
Hf1Nb1
2
65
40.24
mp-1070127
3.984249
-0.33037
-2.569334
other
Ge1H4
5
65
66.77
mp-1217337
-5.93784
-0.610262
3.812254
other
Tc1W1
2
65
31.05
mp-1224761
-7.704137
-0.120144
3.503873
other
Fe3Pt1
4
65
52.71
mp-1066522
-8.076466
-3.163468
2.367377
other
Hg1Pt3
4
65
67.28
mp-1216558
-6.148736
-7.069294
1.995457
other
Tl3In1
4
65
116.84
mp-1227725
-4.687126
-7.433247
3.477305
other
Ba1Sr1
2
65
120.34
mp-1216538
-5.208095
-3.572113
3.406005
other
U1Nb1
2
65
39.08
mp-1216352
-7.228799
0.300106
3.980151
other
V1Fe3
4
65
47.21
mp-1209313
-7.195995
-5.77025
3.748488
other
Pr4Sn10
14
65
388.94
mp-1079273
-7.210704
-5.851191
3.794949
other
La3Sn7
10
65
288.62
mp-1213141
1.947241
2.851211
-4.290203
other
Cu4Cl12
16
65
494.36
mp-1220316
-5.801385
-1.857523
3.642967
other
Nb1W1
2
65
33.82
mp-1220645
-5.678522
-2.528207
3.604484
other
Nb3Au1
4
65
71.76
mp-1228927
-7.729043
-6.582164
2.411777
other
Al1Ag3
4
65
69.97
mp-1069676
1.010406
1.894748
-5.049015
other
Na3Cl2
5
65
126.28
mp-9858
-5.485385
-6.245327
3.683299
other
Ba12Ge16
28
65
893.35
mp-1102394
-4.696494
0.292051
3.059405
other
Nb5B6
11
65
120.22
mp-1003
-6.910382
-4.40907
5.399045
other
Tb4Ge8
12
65
260.27
mp-1216323
-6.075961
-0.717892
3.581932
other
V1Mo1
2
65
28.92
mp-1225016
-8.062392
0.198434
3.64673
other
Fe1Co1
2
65
22.72
mp-1224185
-7.871047
-5.434692
3.52173
other
In6Co2
8
65
171.52